3-cyclohexylprop-2-enyl hydrogen carbonate

C10H16O3 — CID 139900277

IUPAC3-cyclohexylprop-2-enyl hydrogen carbonate
SMILESO=C(O)OCC=CC1CCCCC1
InChIInChI=1S/C10H16O3/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2,(H,11,12)
InChIKeyMSFFBZMKNUZHHV-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.82
Rot. Bonds3

About 3-cyclohexylprop-2-enyl hydrogen carbonate

3-cyclohexylprop-2-enyl hydrogen carbonate (PubChem CID 139900277) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-cyclohexylprop-2-enyl hydrogen carbonate.

Molecular Properties

Compound Name3-cyclohexylprop-2-enyl hydrogen carbonate
PubChem CID139900277
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name3-cyclohexylprop-2-enyl hydrogen carbonate
SMILESO=C(O)OCC=CC1CCCCC1
InChIInChI=1S/C10H16O3/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2,(H,11,12)
InChIKeyMSFFBZMKNUZHHV-UHFFFAOYSA-N
XLogP2.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate
CID 15327120
dimethyl 2-[(E)-3-cyclohexylprop-2-enyl]propanedioate
CID 102464212
3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate
CID 54021454
lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-phenylethyl]azanide
CID 134889225
3-cyclopentylprop-2-en-1-amine
CID 54310760
3-cyclohexylprop-2-enamide
CID 54292987
(E)-7-cyclopentylhept-6-enoic acid
CID 20506982
prop-2-enyl (E)-3-cyclopentylprop-2-enoate
CID 11687001
2-iodoethenylcyclohexane
CID 71361827
3-cycloheptylprop-2-enoxy(diethoxy)silane
CID 154099248
[(E)-but-1-enyl]cyclodecane
CID 173272598
[(Z)-4-hydroxybut-2-enyl] hydrogen carbonate
CID 87127791

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylprop-2-enyl hydrogen carbonate?
The IUPAC name of 3-cyclohexylprop-2-enyl hydrogen carbonate (CID 139900277) is 3-cyclohexylprop-2-enyl hydrogen carbonate.
What is the SMILES notation for 3-cyclohexylprop-2-enyl hydrogen carbonate?
The canonical SMILES for 3-cyclohexylprop-2-enyl hydrogen carbonate is O=C(O)OCC=CC1CCCCC1.
What is the InChIKey of 3-cyclohexylprop-2-enyl hydrogen carbonate?
The InChIKey is MSFFBZMKNUZHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2,(H,11,12).
What are the key properties of 3-cyclohexylprop-2-enyl hydrogen carbonate?
3-cyclohexylprop-2-enyl hydrogen carbonate has a molecular weight of 184.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylprop-2-enyl hydrogen carbonate is sourced from PubChem (CID 139900277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).